General Information of the Compound
| Compound ID |
CP0437332
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| Compound Name |
1,2,2-Trimethyl-6-trifluoromethyl-1,2,3,4-tetrahydro-pyrido[3,2-g]quinoline
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| Structure |
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| Formula |
C16H17F3N2
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| Molecular Weight |
294.32
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| Canonical SMILES |
CN1c2cc3nccc(c3cc2CCC1(C)C)C(F)(F)F
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| InChI |
InChI=1S/C16H17F3N2/c1-15(2)6-4-10-8-11-12(16(17,18)19)5-7-20-13(11)9-14(10)21(15)3/h5,7-9H,4,6H2,1-3H3
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| InChIKey |
XVKGCRCPDDCQSC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound